CFam Chemical Families Database
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You are searching for "CFAMM00392101" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00392101
Family CFFBM8986 5-hydroxytryptamine receptor 1A and Sodium-dependent serotonin transporter ligand 3-[4-[4-(2-oxochromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile family
Superfamily CFSBM700 5-hydroxytryptamine receptor 1A and Sodium-dependent serotonin transporter Binder Superfamily 3
Class CFCBM158 Class 3208
External ID ZINC20730283 External Source ZINC
PubChem CID 51608919 Functional Category Natural Product
Molecule Name AGN-PC-096S5V
IUPAC Name 6-methyl-4-[[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methyl]chromen-2-one
Synonyms ZINC20730283;6-methyl-4-[[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methyl]chromen-2-one
InChi InChI=1S/C22H25N3O2/c1-17-5-6-21-20(14-17)18(15-22(26)27-21)16-25-12-10-24(11-13-25)9-7-19-4-2-3-8-23-19/h2-6,8,14-15H,7,9-13,16H2,1H3/p+1
InChiKey NRBALUWDCLWAHV-UHFFFAOYSA-O
Formula C22H26N3O2+ Molecular Weight 364.46
Cross Link
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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